tert-butyl-dimethyl-[1-(oxiran-2-yl)pent-3-enoxy]silane

C13H26O2Si — CID 90685404

IUPACtert-butyl-dimethyl-[1-(oxiran-2-yl)pent-3-enoxy]silane
SMILESCC=CCC(O[Si](C)(C)C(C)(C)C)C1CO1
InChIInChI=1S/C13H26O2Si/c1-7-8-9-11(12-10-14-12)15-16(5,6)13(2,3)4/h7-8,11-12H,9-10H2,1-6H3
InChIKeyXHKNHHDKIHAGSC-UHFFFAOYSA-N
MW242.43 g/mol
LogP3.74
Rot. Bonds5

About tert-butyl-dimethyl-[1-(oxiran-2-yl)pent-3-enoxy]silane

tert-butyl-dimethyl-[1-(oxiran-2-yl)pent-3-enoxy]silane (PubChem CID 90685404) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is tert-butyl-dimethyl-[1-(oxiran-2-yl)pent-3-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[1-(oxiran-2-yl)pent-3-enoxy]silane
PubChem CID90685404
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Nametert-butyl-dimethyl-[1-(oxiran-2-yl)pent-3-enoxy]silane
SMILESCC=CCC(O[Si](C)(C)C(C)(C)C)C1CO1
InChIInChI=1S/C13H26O2Si/c1-7-8-9-11(12-10-14-12)15-16(5,6)13(2,3)4/h7-8,11-12H,9-10H2,1-6H3
InChIKeyXHKNHHDKIHAGSC-UHFFFAOYSA-N
XLogP3.74
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-dimethyl-[(1R)-1-[(2R)-oxiran-2-yl]prop-2-enoxy]silane
CID 25224257
tert-butyl-dimethyl-[(1S)-1-[(2S)-oxiran-2-yl]but-3-enoxy]silane
CID 134963399
[3-[(3Z,6Z)-1,9-bis[[tert-butyl(dimethyl)silyl]oxy]nona-3,6-dienyl]oxiran-2-yl]-trimethylsilane
CID 138968658
tert-butyl-dimethyl-[(1S,3Z)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]hepta-3,6-dienoxy]silane
CID 138968662
(1S,3Z,6Z)-9-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]nona-3,6-dien-1-ol
CID 138968873
(1R,3Z,6Z)-9-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]nona-3,6-dien-1-ol
CID 138968875
[(2S,3S)-3-[(1S,3Z,6Z)-1,9-bis[[tert-butyl(dimethyl)silyl]oxy]nona-3,6-dienyl]oxiran-2-yl]-trimethylsilane
CID 138968876
(Z,1S)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]hex-3-en-1-ol
CID 138981692
(1S,3Z,6Z)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]nona-3,6-dien-1-ol
CID 138982240
(Z,1R)-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]hex-3-en-1-ol
CID 146161480
(Z,1S)-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]hex-3-en-1-ol
CID 146161578
tert-butyl-dimethyl-[(1S)-1-[(2R)-oxiran-2-yl]prop-2-enoxy]silane
CID 10976828

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[1-(oxiran-2-yl)pent-3-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[1-(oxiran-2-yl)pent-3-enoxy]silane (CID 90685404) is tert-butyl-dimethyl-[1-(oxiran-2-yl)pent-3-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[1-(oxiran-2-yl)pent-3-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[1-(oxiran-2-yl)pent-3-enoxy]silane is CC=CCC(O[Si](C)(C)C(C)(C)C)C1CO1.
What is the InChIKey of tert-butyl-dimethyl-[1-(oxiran-2-yl)pent-3-enoxy]silane?
The InChIKey is XHKNHHDKIHAGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-7-8-9-11(12-10-14-12)15-16(5,6)13(2,3)4/h7-8,11-12H,9-10H2,1-6H3.
What are the key properties of tert-butyl-dimethyl-[1-(oxiran-2-yl)pent-3-enoxy]silane?
tert-butyl-dimethyl-[1-(oxiran-2-yl)pent-3-enoxy]silane has a molecular weight of 242.43 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[1-(oxiran-2-yl)pent-3-enoxy]silane is sourced from PubChem (CID 90685404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).